Information card for entry 7017750

Structure parameters

• Formula: C30 H44 Cl2 N4 O16 Zn
• Calculated formula: C30 H44 Cl2 N4 O16 Zn
• SMILES: c12c(cc(cc2C=[N]2[Zn]34(O1)([N](=Cc1c(c(cc(c1)C)/C=[NH+]/CCCO)O3)CCC[OH]4)[OH]CCC2)C)/C=[NH+]/CCCO.[O-]Cl(=O)(=O)=O.O.[O-]Cl(=O)(=O)=O.O
• Title of publication: Coordination induced fluorescence enhancement and construction of a Zn(3) constellation through hydrolysis of ligand imine arms.
• Authors of publication: Sarkar, Avijit; Ghosh, Aloke Kumar; Bertolasi, Valerio; Ray, Debashis
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 6
• Pages of publication: 1889 - 1896
• a: 25.197 ± 0.004 Å
• b: 11.2209 ± 0.0015 Å
• c: 16.045 ± 0.002 Å
• α: 90°
• β: 121.446 ± 0.004°
• γ: 90°
• Cell volume: 3870.2 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1064
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1883
• Weighted residual factors for all reflections included in the refinement: 0.2147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No